smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)C[C@@H](C(=O)[O-])[NH+](CC(=O)[O-])CC(=O)[O-]	ZINC000001733673	188100381	/nfs/dbraw/zinc/10/03/81/188100381.db2.gz	LPGPRNYMGVKLLK-ZETCQYMHSA-N	-2	2	247.247	-0.043	40	0		BBABLL
[NH3+][C@H](C(=O)[O-])c1ccc([P@@](=O)([O-])O)cc1	ZINC000001997134	342714256	/nfs/dbraw/zinc/71/42/56/342714256.db2.gz	JRQRKFDFHAPMGQ-ZETCQYMHSA-N	-3	2	231.144	-0.426	40	0	in-vivo	BBABLL
CC(C)C[C@H](C(=O)[O-])[NH+](CC(=O)[O-])CC(=O)[O-]	ZINC000002042300	342715106	/nfs/dbraw/zinc/71/51/06/342715106.db2.gz	LPGPRNYMGVKLLK-SSDOTTSWSA-N	-2	2	247.247	-0.043	40	0		BBABLL
O=C([O-])C[C@H](NC(=O)C(F)(F)F)C(=O)[O-]	ZINC000002163720	384928545	/nfs/dbraw/zinc/92/85/45/384928545.db2.gz	NTFULCXLYCSQIW-REOHCLBHSA-N	-2	2	229.110	-0.407	40	0		BBABLL
O=C([O-])C[C@H](C(=O)[O-])[C@H]1SC(=O)NC1=O	ZINC000006606332	387440962	/nfs/dbraw/zinc/44/09/62/387440962.db2.gz	IPTCPYXVGCQSRP-ZAFYKAAXSA-N	-2	2	233.201	-0.487	40	0		BBABLL
O=C([O-])C[C@@H](C(=O)[O-])[C@H]1SC(=O)NC1=O	ZINC000006606334	387441372	/nfs/dbraw/zinc/44/13/72/387441372.db2.gz	IPTCPYXVGCQSRP-VVJJHMBFSA-N	-2	2	233.201	-0.487	40	0		BBABLL
O=C([O-])C[C@H](C(=O)[O-])[C@@H]1SC(=O)NC1=O	ZINC000006606336	387441461	/nfs/dbraw/zinc/44/14/61/387441461.db2.gz	IPTCPYXVGCQSRP-OKKQSCSOSA-N	-2	2	233.201	-0.487	40	0		BBABLL
O=C([O-])C[C@@H](C(=O)[O-])[C@@H]1SC(=O)NC1=O	ZINC000006606341	387441319	/nfs/dbraw/zinc/44/13/19/387441319.db2.gz	IPTCPYXVGCQSRP-FONMRSAGSA-N	-2	2	233.201	-0.487	40	0		BBABLL
O=CNCc1c(O)[nH]c(=S)[nH]c1=O	ZINC000016136393	384453804	/nfs/dbraw/zinc/45/38/04/384453804.db2.gz	FVJRLTYGCZHFQI-UHFFFAOYSA-N	-2	2	201.207	-0.578	40	0		BBABLL
O=P([O-])(O)CCC[P@@](=O)([O-])O	ZINC000031962397	385113655	/nfs/dbraw/zinc/11/36/55/385113655.db2.gz	PUVMVPFLXCHEOY-UHFFFAOYSA-N	-4	2	204.055	-0.268	40	0	in-vivo	BBABLL
O=P([O-])(O)CCC[P@](=O)([O-])O	ZINC000031962397	385113641	/nfs/dbraw/zinc/11/36/41/385113641.db2.gz	PUVMVPFLXCHEOY-UHFFFAOYSA-N	-2	2	204.055	-0.268	40	0	in-vivo	BBABLL
O=c1[nH]c(=S)nc2n(CCO)[nH]cc1-2	ZINC000137817920	368346013	/nfs/dbraw/zinc/34/60/13/368346013.db2.gz	ZMGSEHSHSZJBTH-UHFFFAOYSA-N	-2	2	212.234	-0.274	40	0		BBABLL